N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide

C33H34N6O5S — CID 58091570

IUPACN,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide
SMILESCc1ccc2c(n1)Oc1nc(-c3ccc(C(=O)N(C)C)cc3)ccc1[C@H]2C(C)(C)C(=O)Nc1ncc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C33H34N6O5S/c1-19-6-11-22-26(33(2,3)31(42)37-32-34-18-25(45-32)30(41)39-14-16-43-17-15-39)23-12-13-24(36-28(23)44-27(22)35-19)20-7-9-21(10-8-20)29(40)38(4)5/h6-13,18,26H,14-17H2,1-5H3,(H,34,37,42)/t26-/m0/s1
InChIKeyQOOJPUIORIKFQC-SANMLTNESA-N
MW626.74 g/mol
LogP4.99
Rot. Bonds6

About N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide

N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide (PubChem CID 58091570) has the molecular formula C33H34N6O5S and a molecular weight of 626.74 g/mol. Its IUPAC name is N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide
PubChem CID58091570
Molecular FormulaC33H34N6O5S
Molecular Weight626.74 g/mol
Exact Mass626.23
IUPAC NameN,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide
SMILESCc1ccc2c(n1)Oc1nc(-c3ccc(C(=O)N(C)C)cc3)ccc1[C@H]2C(C)(C)C(=O)Nc1ncc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C33H34N6O5S/c1-19-6-11-22-26(33(2,3)31(42)37-32-34-18-25(45-32)30(41)39-14-16-43-17-15-39)23-12-13-24(36-28(23)44-27(22)35-19)20-7-9-21(10-8-20)29(40)38(4)5/h6-13,18,26H,14-17H2,1-5H3,(H,34,37,42)/t26-/m0/s1
InChIKeyQOOJPUIORIKFQC-SANMLTNESA-N
XLogP4.99
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.74
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide (CID 58091570) is N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide is Cc1ccc2c(n1)Oc1nc(-c3ccc(C(=O)N(C)C)cc3)ccc1[C@H]2C(C)(C)C(=O)Nc1ncc(C(=O)N2CCOCC2)s1.
What is the InChIKey of N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide?
The InChIKey is QOOJPUIORIKFQC-SANMLTNESA-N. The full InChI is InChI=1S/C33H34N6O5S/c1-19-6-11-22-26(33(2,3)31(42)37-32-34-18-25(45-32)30(41)39-14-16-43-17-15-39)23-12-13-24(36-28(23)44-27(22)35-19)20-7-9-21(10-8-20)29(40)38(4)5/h6-13,18,26H,14-17H2,1-5H3,(H,34,37,42)/t26-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide?
N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide has a molecular weight of 626.74 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide is sourced from PubChem (CID 58091570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).